[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol

C26H26FN5O3 — CID 144744982

IUPAC[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2C)nn1
InChIInChI=1S/C26H26FN5O3/c1-15-10-21(27)20(13-19(15)26(33)24-16(2)11-23(34-3)30-31-24)25-18-5-4-17(12-22(18)28-14-29-25)32-6-8-35-9-7-32/h4-5,10-14,26,33H,6-9H2,1-3H3
InChIKeyXBTOWTOWNJAJNS-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.77
Rot. Bonds5

About [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol

[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol (PubChem CID 144744982) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
PubChem CID144744982
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2C)nn1
InChIInChI=1S/C26H26FN5O3/c1-15-10-21(27)20(13-19(15)26(33)24-16(2)11-23(34-3)30-31-24)25-18-5-4-17(12-22(18)28-14-29-25)32-6-8-35-9-7-32/h4-5,10-14,26,33H,6-9H2,1-3H3
InChIKeyXBTOWTOWNJAJNS-UHFFFAOYSA-N
XLogP3.77
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol with MolForge

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Launch Full Analysis

Related Compounds

[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744962
ethane;[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744961
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 135268560
[2-chloro-5-(5,6-dideuterio-7-morpholin-4-ylquinazolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 118954836
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-methylpyridazin-3-one
CID 118954888
5-fluoro-2-[(2E,4E)-1-hydroxy-5-methoxy-2-methyl-5-(methylideneamino)penta-2,4-dienyl]-4-(7-morpholin-4-ylquinazolin-4-yl)phenol
CID 137288877
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol?
The IUPAC name of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol (CID 144744982) is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol.
What is the SMILES notation for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol?
The canonical SMILES for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol is COc1cc(C)c(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2C)nn1.
What is the InChIKey of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol?
The InChIKey is XBTOWTOWNJAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-15-10-21(27)20(13-19(15)26(33)24-16(2)11-23(34-3)30-31-24)25-18-5-4-17(12-22(18)28-14-29-25)32-6-8-35-9-7-32/h4-5,10-14,26,33H,6-9H2,1-3H3.
What are the key properties of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol?
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol has a molecular weight of 475.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol is sourced from PubChem (CID 144744982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).